Glycoside
GD025295
Name:
NoneFormula:
C13H19O4N5SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCO)[C@H](O)[C@H]1OAglycone:
CSCCCO.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 6 |
| MolWt: | 341.39 | Num_heavy_atoms: | 23 |
| TPSA: | 139.54 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD16789
Formula: C4H10OS
Smiles:
CSCCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 3 |
| MolWt: | 106.19 | Num_heavy_atoms: | 6 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
